
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.9361    1.8308   -1.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7915   -4.0563   -1.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759   -4.7211    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273   -5.4375   -1.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -6.0702    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387   -0.4374   -0.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    0.4551   -1.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -3.5990   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822   -3.0837    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6329   -1.2275   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203   -0.0243   -1.3813 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.9170   -0.6863 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1231   -3.6801    0.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6653   -6.3772   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892   -1.8837   -0.4684 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684    1.8047   -2.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454    2.4236   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    2.3387   -2.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4545   -3.3442   -2.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857   -4.1065   -1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7612   -4.8082    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440   -4.4762    1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323   -5.4312   -1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952   -5.7761   -2.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0555   -6.1057    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4840   -6.8575    1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -0.3090   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0638   -2.7489    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116   -1.4157   -1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12 29  1  0  0  0  0
 13  9  2  0  0  0  0
 14  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z73240835

>  <Barcode>
0110705981

>  <Well>
F06

>  <Plate_ID>
816280-03

>  <MW>
226.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-9(13)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,11,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	14
3	C	15
4	C	12
5	C	13
6	C	7
7	C	6
8	C	9
9	C	4
10	C	1
11	N	3
12	N	2
13	O	8
14	O	10
15	S	5
16	H	21
17	H	20
18	H	19
19	H	26
20	H	27
21	H	28
22	H	29
23	H	22
24	H	23
25	H	24
26	H	25
27	H	17
28	H	18
29	H	16


> <ALATIS_Mixture_Map>

$$$$
